Gradient elution computer simulation

Soczewihski, E. Markowski, W. Stepwise gradient development in thin-layer chromatography. III. A computer program for the simulation of stepwise gradient elution. J. Chromatogr. 1986, 370, 63-73. 

Computer simulation refers to the use of a computer for predictions of separation as a function of experimental conditions. In most cases, computer simulation requires two or more experimental runs with a given sample, in order to calibrate the computer prior to making predictions. Computer simulation can be used in H PLC method development to select optimum final conditions for the separation of a given sample, so that fewer actual experiments are required and better HPLC methods result Ideally, computer simulation should (a) allow for the simultaneous variation of as many as two experimental conditions that affect separation selectivity, (b) be applicable for both isocratic and gradient elution, and (c) be able to predict the further effect on separation of changes in flow rate, column dimensions and particle size. 

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